# generated using pymatgen data_Li2Y14Ti14(S2O5)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59754500 _cell_length_b 11.69432102 _cell_length_c 12.15842752 _cell_angle_alpha 84.03522351 _cell_angle_beta 81.87314561 _cell_angle_gamma 77.26098904 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Y14Ti14(S2O5)7 _chemical_formula_sum 'Li2 Y14 Ti14 S14 O35' _cell_volume 1177.01874216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.00000000 0.50000000 1.0 Y Y2 1 0.59544300 0.66647800 0.02376600 1.0 Y Y3 1 0.40455700 0.33352200 0.97623400 1.0 Y Y4 1 0.54473300 0.33372600 0.26319400 1.0 Y Y5 1 0.45526700 0.66627400 0.73680600 1.0 Y Y6 1 0.30977600 0.66858100 0.45209500 1.0 Y Y7 1 0.16728900 0.66795200 0.16625900 1.0 Y Y8 1 0.02189800 0.66871600 0.88125700 1.0 Y Y9 1 0.97810200 0.33128400 0.11874300 1.0 Y Y10 1 0.12059400 0.33079600 0.40486400 1.0 Y Y11 1 0.26463500 0.33319300 0.68911700 1.0 Y Y12 1 0.83271100 0.33204800 0.83374100 1.0 Y Y13 1 0.87940600 0.66920400 0.59513600 1.0 Y Y14 1 0.73536500 0.66680700 0.31088300 1.0 Y Y15 1 0.69022400 0.33141900 0.54790500 1.0 Ti Ti16 1 0.26924700 0.83616600 0.93967500 1.0 Ti Ti17 1 0.54565800 0.84000000 0.51144900 1.0 Ti Ti18 1 0.40121900 0.83991100 0.22708700 1.0 Ti Ti19 1 0.30989900 0.15997600 0.20423400 1.0 Ti Ti20 1 0.59878100 0.16008900 0.77291300 1.0 Ti Ti21 1 0.45434200 0.16000000 0.48855100 1.0 Ti Ti22 1 0.17561600 0.16379700 0.91619100 1.0 Ti Ti23 1 0.97215300 0.83571700 0.36460900 1.0 Ti Ti24 1 0.12184600 0.83601700 0.65880800 1.0 Ti Ti25 1 0.82438400 0.83620300 0.08380900 1.0 Ti Ti26 1 0.69010100 0.84002400 0.79576600 1.0 Ti Ti27 1 0.73075300 0.16383400 0.06032500 1.0 Ti Ti28 1 0.02784700 0.16428300 0.63539100 1.0 Ti Ti29 1 0.87815400 0.16398300 0.34119200 1.0 S S30 1 0.32906200 0.59210200 0.95785800 1.0 S S31 1 0.61820600 0.58815800 0.52926700 1.0 S S32 1 0.47516800 0.58839900 0.24343600 1.0 S S33 1 0.23866200 0.41183900 0.18494500 1.0 S S34 1 0.52483200 0.41160100 0.75656400 1.0 S S35 1 0.38179400 0.41184200 0.47073300 1.0 S S36 1 0.09642900 0.40806400 0.89963400 1.0 S S37 1 0.04512300 0.59259300 0.38746500 1.0 S S38 1 0.18645900 0.59245200 0.67121900 1.0 S S39 1 0.90357100 0.59193600 0.10036600 1.0 S S40 1 0.76133800 0.58816100 0.81505500 1.0 S S41 1 0.67093800 0.40789800 0.04214200 1.0 S S42 1 0.95487700 0.40740700 0.61253500 1.0 S S43 1 0.81354100 0.40754800 0.32878100 1.0 O O44 1 0.48841700 0.79919700 0.87074500 1.0 O O45 1 0.62632700 0.79935600 0.15794600 1.0 O O46 1 0.20188300 0.79945200 0.80112900 1.0 O O47 1 0.37367300 0.20064400 0.84205400 1.0 O O48 1 0.48483500 0.79938200 0.37187400 1.0 O O49 1 0.62987400 0.79946000 0.65678100 1.0 O O50 1 0.51158300 0.20080300 0.12925500 1.0 O O51 1 0.34438500 0.79875700 0.08584800 1.0 O O52 1 0.37012600 0.20054000 0.34321900 1.0 O O53 1 0.51516500 0.20061800 0.62812600 1.0 O O54 1 0.22939300 0.20115000 0.05713700 1.0 O O55 1 0.20942800 0.99996100 0.93087000 1.0 O O56 1 0.05363100 0.81210600 0.01338900 1.0 O O57 1 0.50000000 0.00000000 0.50000000 1.0 O O58 1 0.34413700 0.79878500 0.58630600 1.0 O O59 1 0.19947000 0.79893500 0.29925100 1.0 O O60 1 0.35560700 0.99995600 0.21464200 1.0 O O61 1 0.94636900 0.18789400 0.98661100 1.0 O O62 1 0.77060700 0.79885000 0.94286300 1.0 O O63 1 0.08465600 0.20080500 0.27047100 1.0 O O64 1 0.05339500 0.81282100 0.51347000 1.0 O O65 1 0.91253300 0.79948500 0.22754400 1.0 O O66 1 0.22932000 0.20094200 0.55752900 1.0 O O67 1 0.64439300 0.00004400 0.78535800 1.0 O O68 1 0.79057200 0.00003900 0.06913000 1.0 O O69 1 0.08746700 0.20051500 0.77245600 1.0 O O70 1 0.06982200 0.00004400 0.63985300 1.0 O O71 1 0.94660500 0.18717900 0.48653000 1.0 O O72 1 0.91534400 0.79919500 0.72952900 1.0 O O73 1 0.93017800 0.99995600 0.36014700 1.0 O O74 1 0.65561500 0.20124300 0.91415200 1.0 O O75 1 0.79811700 0.20054800 0.19887100 1.0 O O76 1 0.77068000 0.79905800 0.44247100 1.0 O O77 1 0.65586300 0.20121500 0.41369400 1.0 O O78 1 0.80053000 0.20106500 0.70074900 1.0